7-cyclohexyloxyisoquinolin-1-amine;formic acid

C16H20N2O3 — CID 44530238

IUPAC7-cyclohexyloxyisoquinolin-1-amine;formic acid
SMILESNc1nccc2ccc(OC3CCCCC3)cc12.O=CO
InChIInChI=1S/C15H18N2O.CH2O2/c16-15-14-10-13(7-6-11(14)8-9-17-15)18-12-4-2-1-3-5-12;2-1-3/h6-10,12H,1-5H2,(H2,16,17);1H,(H,2,3)
InChIKeySBEXDGXAOWMXOX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.23
Rot. Bonds2

About 7-cyclohexyloxyisoquinolin-1-amine;formic acid

7-cyclohexyloxyisoquinolin-1-amine;formic acid (PubChem CID 44530238) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-cyclohexyloxyisoquinolin-1-amine;formic acid.

Molecular Properties

Compound Name7-cyclohexyloxyisoquinolin-1-amine;formic acid
PubChem CID44530238
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name7-cyclohexyloxyisoquinolin-1-amine;formic acid
SMILESNc1nccc2ccc(OC3CCCCC3)cc12.O=CO
InChIInChI=1S/C15H18N2O.CH2O2/c16-15-14-10-13(7-6-11(14)8-9-17-15)18-12-4-2-1-3-5-12;2-1-3/h6-10,12H,1-5H2,(H2,16,17);1H,(H,2,3)
InChIKeySBEXDGXAOWMXOX-UHFFFAOYSA-N
XLogP3.23
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyloxyisoquinolin-1-amine;formic acid?
The IUPAC name of 7-cyclohexyloxyisoquinolin-1-amine;formic acid (CID 44530238) is 7-cyclohexyloxyisoquinolin-1-amine;formic acid.
What is the SMILES notation for 7-cyclohexyloxyisoquinolin-1-amine;formic acid?
The canonical SMILES for 7-cyclohexyloxyisoquinolin-1-amine;formic acid is Nc1nccc2ccc(OC3CCCCC3)cc12.O=CO.
What is the InChIKey of 7-cyclohexyloxyisoquinolin-1-amine;formic acid?
The InChIKey is SBEXDGXAOWMXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.CH2O2/c16-15-14-10-13(7-6-11(14)8-9-17-15)18-12-4-2-1-3-5-12;2-1-3/h6-10,12H,1-5H2,(H2,16,17);1H,(H,2,3).
What are the key properties of 7-cyclohexyloxyisoquinolin-1-amine;formic acid?
7-cyclohexyloxyisoquinolin-1-amine;formic acid has a molecular weight of 288.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyloxyisoquinolin-1-amine;formic acid is sourced from PubChem (CID 44530238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).